| CAS Number | 2357-39-3 |
| Catalog Number | AG01A5J6(AGN-PC-0HQUYY) |
| Chemical Name | 4-(Propan-2-yl)-2-(trifluoromethyl)-2,5-dihydro-1,3-oxazol-5-one |
| IUPAC Name | 4-propan-2-yl-2-(trifluoromethyl)-2H-1,3-oxazol-5-one |
| InChI | InChI=1S/C7H8F3NO2/c1-3(2)4-5(12)13-6(11-4)7(8,9)10/h3,6H,1-2H3 |
| InChI Key | TWLWBYBADKQLEE-UHFFFAOYSA-N |
| MDL Number | MFCD24842922 |
| Molecular Formula | C7H8F3NO2 |
| Molecular Weight | 195.1391 |
| SMILES | CC(C1C(=O)OC(C(F)(F)F)N=1)C |
| Synonyms | 4-(propan-2-yl)-2-(trifluoromethyl)-2,5-dihydro-1,3-oxazol-5-one,
2357-39-3,
SCHEMBL6479582,
TWLWBYBADKQLEE-UHFFFAOYSA-N,
AKOS033501991,
NE52052,
4-Isopropyl-2-trifluoromethyl-1,3-oxazol-5(2H)-one,
4-isopropyl-2-(trifluoromethyl)oxazol-5(2H)-one,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.141g/mol |
| Monoisotopic Mass | 195.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number